7-{2-[(azepan-2-ylidene)amino]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
7-{2-[(azepan-2-ylidene)amino]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
7-{2-[(azepan-2-ylidene)amino]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8012-6118 |
| Compound Name: | 7-{2-[(azepan-2-ylidene)amino]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 354.84 |
| Molecular Formula: | C15 H22 N6 O2 |
| Salt: | HCl |
| Smiles: | CN1C(c2c(ncn2CC/N=C2\CCCCCN2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5189 |
| logD: | -2.6595 |
| logSw: | -1.3307 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.915 |
| InChI Key: | QDNUXYCWZSDOGV-UHFFFAOYSA-N |